(1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine

C18H23NO2S2 — CID 97323673

IUPAC(1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
SMILESCSc1cc(C)ccc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H23NO2S2/c1-13-5-6-16(18(11-13)22-3)12-19-14(2)15-7-9-17(10-8-15)23(4,20)21/h5-11,14,19H,12H2,1-4H3/t14-/m0/s1
InChIKeyMADDTSTXEQNBEO-AWEZNQCLSA-N
MW349.52 g/mol
LogP3.97
Rot. Bonds6

About (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine

(1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 97323673) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
PubChem CID97323673
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC Name(1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
SMILESCSc1cc(C)ccc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H23NO2S2/c1-13-5-6-16(18(11-13)22-3)12-19-14(2)15-7-9-17(10-8-15)23(4,20)21/h5-11,14,19H,12H2,1-4H3/t14-/m0/s1
InChIKeyMADDTSTXEQNBEO-AWEZNQCLSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline
CID 84588806
5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentan-1-amine
CID 104926336
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520681
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520679
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
2,2-dimethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]ethanamine
CID 60817783
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 112800115
(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 78921805
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694
N-[(1-methylimidazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 63001655

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine (CID 97323673) is (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine is CSc1cc(C)ccc1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is MADDTSTXEQNBEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-13-5-6-16(18(11-13)22-3)12-19-14(2)15-7-9-17(10-8-15)23(4,20)21/h5-11,14,19H,12H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine?
(1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 349.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 97323673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).